1-(2-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(2-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(2-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(2-fluorophenyl)sulfonyl-N-(6-mesyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C20H20FN3O5S3 MolecularWeight: 497.583303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H20FN3O5S3/c1-31(26,27)14-6-7-16-17(12-14)30-20(22-16)23-19(25)13-8-10-24(11-9-13)32(28,29)18-5-3-2-4-15(18)21/h2-7,12-13H,8-11H2,1H3,(H,22,23,25)